CID 126108

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-(3-(4-phenyl-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C1CN(CCN1CCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H22N4O2/c24-19-23(18-17(25-19)8-4-9-20-18)11-5-10-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2
InChIKey
MKTFZEHFTCMQCU-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

338.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.181576 181.0
[M+Na]+ 361.163518 188.8
[M-H]- 337.167024 186.4
[M+NH4]+ 356.208123 189.8
[M+K]+ 377.137458 183.4
[M+H-H2O]+ 321.171560 168.7
[M+HCOO]- 383.172501 196.5
[M+CH3COO]- 397.188151 190.2
[M+Na-2H]- 359.148966 184.3
[M]+ 338.17375142 181.3
[M]- 338.17484858 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe